The structure of Lennard-Jones dimerizing spheres near a hard wall from the nonuniform wertheim Ornstein-Zernike equation |
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| Authors: | Douglas Henderson Orest Pizio Andrij Trokhymchuk Stefan Sokolowski |
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| Affiliation: | (1) Department of Chemistry and Biochemistry, Brigham Young University, 84602 Provo, Utah, USA;(2) Instituto de Quimica de la UNAM, Circuito Exterior, 04510 Coyoacán, México D.F.;(3) Department for the Modelling of Physico-Chemical Processes, Faculty of Chemistry, MCS University, 200-31 Lublin, Poland;(4) Present address: Institute for Condensed Matter Physics, National Academy of Sciences of the Ukraine, Lvov 11, Ukraine |
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| Abstract: | A dimerizing model of Lennard-Jones particles near a hard wall is studied using the inhomogeneous or second order Wertheim Ornstein-Zernike equation and the inhomogeneous associative Percus-Yevick closure. We investigate the influence of the degree of dimerization on the shape of the density profiles and on inhomogeneous pair correlation functions. This work was supported in parts by KBN of Poland (the Grant No. 3T09A 06210) and by Cray Research, Inc., of Mexico under its University Research and Development Grant Program. Garcia. |
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